Information card for entry 4030207

Structure parameters

• Common name: 1b in manuscript
• Formula: C40 H30
• Calculated formula: C40 H30
• SMILES: C1(C(C(=C(c2ccccc2)c2c1cccc2)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Photolability of per-arylated butadienes: en route to dihydronaphthalenes.
• Authors of publication: Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 23
• Pages of publication: 11787 - 11791
• a: 10.1649 ± 0.0006 Å
• b: 14.5991 ± 0.0009 Å
• c: 19.9342 ± 0.0012 Å
• α: 98.273 ± 0.002°
• β: 104.589 ± 0.002°
• γ: 97.525 ± 0.002°
• Cell volume: 2789.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No